(4-chloranyl-3-methyl-phenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid (4-chloro-3-methyl-phenyl) ester Formula: C13H10Cl2N2O4S MolecularWeight: 361.2005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)Cl

InChI

InChI=1S/C13H10Cl2N2O4S/c1-7-5-8(3-4-9(7)14)21-12(18)11-10(15)6-16-13(17-11)22(2,19)20/h3-6H,1-2H3